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Harnessing RIBOnucleic acid - Small molecules Structures

Compound A1BNU

Identifiers

  • Canonical SMILES:
    CN(CCN)c1ccnc(N)n1
  • IUPAC name:
    N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-2,4-diamine
  • InChi:
    InChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11)
  • InChiKey:
    YHRLGNNOULBZCH-UHFFFAOYSA-N
  • SMARTS:
    [#6]-[#7](-[#6]-[#6]-[#7])-[#6]1:[#6]:[#6]:[#7]:[#6](-[#7]):[#7]:1

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 167.12 g/mol
HBA 5
HBD 2
HBA + HBD
AlogP -0.55
TPSA 81.06
RB 3

Radar chart